3-(Methylthio)phenylboronic acid

Product Information

Molecular Formula:
C7H9BO2S
Molecular Weight:
168.02
Description
3-(Methylthio)phenylboronic acid, an indispensable compound in the field of biomedicine, plays a pivotal role in the synthesis of diverse pharmaceuticals geared towards combating critical health conditions such as cancer, diabetes, and inflammation. Its distinctive molecular configuration renders it a crucial intermediate in the pursuit of targeted therapeutic interventions and pharmaceutical investigations.
Synonyms
4-(Methylthiophenyl)boronic acid; Boronic acid, [3-(methylthio)phenyl]-; [3-(methylthio)phenyl]boronic acid; 3-BORONOTHIOANISOLE; [3-(methylsulfanyl)phenyl]boranediol; M-(METHYLTHIO)PHENYLBORONIC ACID; Boronic acid, B-[3-(methylthio)phenyl]-; 3-methylthiophenyl boronic acid; DTXSID20370272; 3-(methylthio)-phenylboronic acid; 3-methylsulfanyl-phenylboronic acid; 3-(methylsulfanyl)phenyl-boronic acid; [3-(methylsulfanyl)phenyl]boronic acid; 3-(Methylthio)phenylboronic acid, 95%; 3-(methylthio)phenylboronic acid; 3-Methylthiobenzeneboronic acid; {[(3-THIOXOCYCLOHEXA-1,5-DIEN-1-YL)OXY]METHYL}BORONIC ACID
IUPAC Name
(3-methylsulfanylphenyl)boronic acid
Canonical SMILES
B(C1=CC(=CC=C1)SC)(O)O
InChI
InChI=1S/C7H9BO2S/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5,9-10H,1H3
InChI Key
TYVPOLHSKGEXIH-UHFFFAOYAK
Melting Point
160-162 °C (lit.)
Purity
95%

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
168.0416309 g/mol
Monoisotopic Mass
168.0416309 g/mol
Topological Polar Surface Area
65.8Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
121
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
WO-2022035763-A1 Boron containing compounds and their uses 2020-08-10
CN-111303150-A High-efficiency narrow-half-peak-width aggregation state luminescent material 2020-03-04
CN-111303150-B High-efficiency narrow-half-peak-width aggregation state luminescent material 2020-03-04
WO-2021138391-A1 Indazole compounds 2019-12-30
WO-2020262451-A1 Metal-organic framework having terephthalic acid based ligand 2019-06-25
CN-114072454-A Metal-organic structure having terephthalic acid-based ligand 2019-06-25
US-2020003773-A1 Optical detection of biological components 2018-04-05
WO-2019098211-A1 Annulated pyrazole derivative and medicinal use therefor 2017-11-15
JP-2018170236-A Nonaqueous electrolyte for batteries and lithium secondary battery 2017-03-30
JP-6884020-B2 Non-aqueous electrolyte for batteries and lithium secondary battery 2017-03-30
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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